[2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C23H23ClN4O5 MolecularWeight: 470.90552

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(=O)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C23H23ClN4O5/c1-3-11-28-22(31)16-8-5-4-7-15(16)21(27-28)23(32)33-13-20(30)25-12-19(29)26-18-10-6-9-17(24)14(18)2/h4-10H,3,11-13H2,1-2H3,(H,25,30)(H,26,29)